3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid

C14H14FNO2S — CID 83035372

IUPAC3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid
SMILESCCc1c(-c2cc(F)ccc2C)sc(C(=O)O)c1N
InChIInChI=1S/C14H14FNO2S/c1-3-9-11(16)13(14(17)18)19-12(9)10-6-8(15)5-4-7(10)2/h4-6H,3,16H2,1-2H3,(H,17,18)
InChIKeyJLZPUEWKYXYVID-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.71
Rot. Bonds3

About 3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid

3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid (PubChem CID 83035372) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid
PubChem CID83035372
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid
SMILESCCc1c(-c2cc(F)ccc2C)sc(C(=O)O)c1N
InChIInChI=1S/C14H14FNO2S/c1-3-9-11(16)13(14(17)18)19-12(9)10-6-8(15)5-4-7(10)2/h4-6H,3,16H2,1-2H3,(H,17,18)
InChIKeyJLZPUEWKYXYVID-UHFFFAOYSA-N
XLogP3.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-ethyl-5-(2-methyl-5-nitrophenyl)thiophene-2-carboxylic acid
CID 83035299
3-amino-5-(2-chloro-4-methylphenyl)-4-ethylthiophene-2-carboxylic acid
CID 106861777
3-amino-4-ethyl-5-(2-fluoro-4-nitrophenyl)thiophene-2-carboxylic acid
CID 83036961
3-amino-5-(2-bromo-5-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83033919
3-amino-5-(2,4-dimethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83036757
3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83034427
ethyl 3-amino-5-(3-chloro-4-methylphenyl)-4-ethylthiophene-2-carboxylate
CID 63398955
3-amino-5-(3-bromo-4-methoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83035166
ethyl 3-amino-5-(2,3-dimethylphenyl)-4-ethylthiophene-2-carboxylate
CID 63398787
ethyl 3-amino-5-(2-bromo-3-fluorophenyl)-4-ethylthiophene-2-carboxylate
CID 81499405
ethyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398484
methyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
CID 61313579

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid (CID 83035372) is 3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid is CCc1c(-c2cc(F)ccc2C)sc(C(=O)O)c1N.
What is the InChIKey of 3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid?
The InChIKey is JLZPUEWKYXYVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-3-9-11(16)13(14(17)18)19-12(9)10-6-8(15)5-4-7(10)2/h4-6H,3,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid?
3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-5-(5-fluoro-2-methylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83035372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).